PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

vcl5r   3117 Vanadium(V) pentachloride (Geo)

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    #  Species Formula
  3107 Vanadium(III) trichloride (Geo)Cl3V
  3108 Vanadium(V) oxychloride (Geo)OCl3V
  3109 V(III)ON2Cl3 (AFUGAJ) (Geo)C20H24N2OCl3V
  3110 V(III)ON2Cl3 (AFUGAJ)C20H24N2OCl3V
  3111 Vanadium(IV) chlorideCl4V
  3112 Vanadium(IV) tetrachloride 2ECl4V
  3113 Vanadium(IV) chloride (Geo)Cl4V
  3114 d2 [V(III)Cl4]- 3A2 -- 3T1 (P)Cl4V
  3115 Vanadium(V) oxide tetrachloride, anion (Geo)OCl4V
  3116 Vanadium(V) pentachlorideCl5V
  3117 Vanadium(V) pentachloride (Geo) Cl5V
  3118 Vanadium(V) hexachloride (Geo)Cl6V
  3119 Vanadium, dimer (Geo)V2
  3120 V2C16 (CAMXAP) (Geo)C16H16V2
  3121 V(IV)2O6 (BIWDIU) (Geo)C12H20O8V2
  3122 V(V)2O8N4 (CEKHUV) (Geo)C22H20N4O8V2
  3123 V(V)2O8N4 (CEKHUV)C22H20N4O8V2
  3124 V(V)2O10 (BAFNEB) (Geo)C14H26O10V2
  3125 V(IV)2F6O4(2-) (BAHLUR) (Geo)H4O4F6V2
  3126 V2C10O8 (CPVFAC) (Geo)C18H10O8F12V2
  3127 V(III)2S8Cl2 (ALACIZ) (Geo)C28H24S8Cl2V2


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PULAY PM7
Vanadium(V) pentachloride
 <V-Cl(eq)> <V-Cl(ax)> GR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.19040300 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.25556600 +1   89.7895236 +1    0.0000000 +0     1     2     0
 Cl     2.21744048 +1  120.2484299 +1  -89.8446840 +1     1     2     3
 Cl     2.25597671 +1   90.0195542 +1  -90.0916375 +1     1     2     4
 Cl     2.21730894 +1  120.1433542 +1  -90.1011052 +1     1     2     5